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N20

N20
Name:	6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE
Formula:	C18 H21 N5 O2
SMILES:	n2c1c(ncn1)c(nc2Nc3ccc(O)cc3)OCC4CCCCC4
InChi:	InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)
Definition date:	2003-06-10
Last modified:	2011-06-04
Identifier:	4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenol

0IN

0IN
Name:	7-(pyridin-3-ylmethyl)quinolin-8-ol
Formula:	C15 H12 N2 O
SMILES:	Oc1c(ccc2cccnc12)Cc3cccnc3
InChi:	InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2
Definition date:	2009-09-11
Last modified:	2011-06-04
Identifier:	7-(pyridin-3-ylmethyl)quinolin-8-ol

826

826
Name:	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE
Formula:	C25 H22 N2 O3
SMILES:	O=C(N3CCc2c1c(cccc1)n(c2C3)Cc4ccc(O)cc4)c5ccc(O)cc5
InChi:	InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2
Definition date:	2001-02-14
Last modified:	2011-06-04
Identifier:	4-{[9-(4-hydroxybenzyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonyl}phenol

KMB

KMB
Name:	2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE
Formula:	C16 H16 N4 O S
SMILES:	O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3
InChi:	InChI=1S/C16H16N4OS/c17-8-10-6-11(9-22-12-4-2-1-3-5-12)14-13(7-10)15(21)20-16(18)19-14/h1-7H,8-9,17H2,(H3,18,19,20,21)
Definition date:	2003-08-15
Last modified:	2011-06-04
Identifier:	2-amino-6-(aminomethyl)-8-[(phenylsulfanyl)methyl]quinazolin-4(3H)-one

QDS

QDS
Name:	N-(quinoxalin-2-ylcarbonyl)-D-serine
Formula:	C12 H11 N3 O4
SMILES:	O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO
InChi:	InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1
Definition date:	2008-03-11
Last modified:	2011-06-04
Identifier:	N-(quinoxalin-2-ylcarbonyl)-D-serine

QSN

QSN
Name:	N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide
Formula:	C12 H10 N6 O6 S
SMILES:	[O-][N+](=O)c2c(n1ccnc1)cc3C(=O)N(C(=O)Nc3c2)NS(=O)(=O)C
InChi:	InChI=1S/C12H10N6O6S/c1-25(23,24)15-17-11(19)7-4-9(16-3-2-13-6-16)10(18(21)22)5-8(7)14-12(17)20/h2-6,15H,1H3,(H,14,20)
Definition date:	2011-03-29
Last modified:	2011-06-04
Identifier:	N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide

QUD

QUD
Name:	2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM
Formula:	C29 H37 N4 O2
SMILES:	O=C(NCC([n+]2cc3cc(Oc1ccccc1)ccc3nc2N)C4CCCCC4)C5CCCCC5
InChi:	InChI=1S/C29H36N4O2/c30-29-32-26-17-16-25(35-24-14-8-3-9-15-24)18-23(26)20-33(29)27(21-10-4-1-5-11-21)19-31-28(34)22-12-6-2-7-13-22/h3,8-9,14-18,20-22,27,30H,1-2,4-7,10-13,19H2,(H,31,34)/p+1/t27-/m0/s1
Definition date:	2009-05-28
Last modified:	2011-06-04
Identifier:	2-amino-3-{(1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium

848

848
Name:	2-(pyridin-3-ylmethoxy)aniline
Formula:	C12 H12 N2 O
SMILES:	O(c1ccccc1N)Cc2cccnc2
InChi:	InChI=1S/C12H12N2O/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10/h1-8H,9,13H2
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	2-(pyridin-3-ylmethoxy)aniline

QUI

QUI
Name:	2-CARBOXYQUINOXALINE
Formula:	C9 H6 N2 O2
SMILES:	O=C(O)c1nc2ccccc2nc1
InChi:	InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	quinoxaline-2-carboxylic acid

RO1

RO1
Name:	(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
Formula:	C37 H53 N5 O7 S
SMILES:	O=S(=O)(C)C(C)(C)C(NC(=O)COc1cccnc1)C(=O)NC(C(=O)CN3C(C(=O)NC(C)(C)C)CC2CCCCC2C3)Cc4ccccc4
InChi:	InChI=1S/C37H53N5O7S/c1-36(2,3)41-34(45)30-20-26-15-10-11-16-27(26)22-42(30)23-31(43)29(19-25-13-8-7-9-14-25)39-35(46)33(37(4,5)50(6,47)48)40-32(44)24-49-28-17-12-18-38-21-28/h7-9,12-14,17-18,21,26-27,29-30,33H,10-11,15-16,19-20,22-24H2,1-6H3,(H,39,46)(H,40,44)(H,41,45)/t26-,27+,29-,30-,33+/m0/s1
Definition date:	2005-12-07
Last modified:	2011-06-04
Identifier:	(3S,4aS,8aS)-N-tert-butyl-2-[(3S)-3-({3-(methylsulfonyl)-N-[(pyridin-3-yloxy)acetyl]-L-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide

855

855
Name:	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Formula:	C19 H15 N5
SMILES:	n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4
InChi:	InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
Definition date:	2009-04-06
Last modified:	2011-06-04
Identifier:	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine

QGG

QGG
Name:	1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE
Formula:	C15 H16 Cl N5 O4 S
SMILES:	O=C(O)C3N(S(=O)(=O)c2cc1c(/N=C(N)N)ncc(Cl)c1cc2)CCC3
InChi:	InChI=1S/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/m1/s1
Definition date:	2008-02-07
Last modified:	2011-06-04
Identifier:	1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-D-proline

RPF

RPF
Name:	1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE
Formula:	C31 H37 N3 O5
SMILES:	O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COc4ccc3c(NCCC3)c4)CNC5
InChi:	InChI=1S/C31H37N3O5/c1-36-30-8-3-2-6-24(30)21-37-16-5-17-38-27-13-10-25(11-14-27)34-26(19-32-20-31(34)35)22-39-28-12-9-23-7-4-15-33-29(23)18-28/h2-3,6,8-14,18,26,32-33H,4-5,7,15-17,19-22H2,1H3/t26-/m0/s1
Definition date:	2005-02-18
Last modified:	2011-06-04
Identifier:	(6S)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydroquinolin-7-yloxy)methyl]piperazin-2-one

SIG

SIG
Name:	STIGMATELLIN
Formula:	C30 H42 O5
SMILES:	O=C1c2c(OC(=C1C)CCC(C)C(C)C(C)C(C=CC=CC(=CC)C)C)c(O)c(OC)cc2OC
InChi:	InChI=1S/C30H42O5/c1-10-18(2)13-11-12-14-19(3)21(5)22(6)20(4)15-16-24-23(7)28(31)27-25(33-8)17-26(34-9)29(32)30(27)35-24/h10-14,17,19-22,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,20+,21-,22+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	8-hydroxy-5,7-dimethoxy-3-methyl-2-[(3R,4R,5R,6S,7E,9E,11E)-3,4,5,6,11-pentamethyltrideca-7,9,11-trien-1-yl]-4H-chromen-4-one

RBS

RBS
Name:	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
Formula:	C17 H14 N4 O
SMILES:	O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3
InChi:	InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
Definition date:	2006-08-02
Last modified:	2011-06-04
Identifier:	N-[4-(phenylamino)quinazolin-6-yl]prop-2-enamide

QI3

QI3
Name:	(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide
Formula:	C17 H16 Cl2 N2 O5 S
SMILES:	O=S(=O)(c1ccc(Cl)cc1)N3C(C(=O)NO)CC(Oc2ccc(Cl)cc2)C3
InChi:	InChI=1S/C17H16Cl2N2O5S/c18-11-1-5-13(6-2-11)26-14-9-16(17(22)20-23)21(10-14)27(24,25)15-7-3-12(19)4-8-15/h1-8,14,16,23H,9-10H2,(H,20,22)/t14-,16+/m1/s1
Definition date:	2011-02-03
Last modified:	2011-06-04
Identifier:	(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide

RQ3

RQ3
Name:	2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
Formula:	C20 H23 N O4
SMILES:	O=C(O)C(Oc1ccc(cc1)CC(=O)Nc2cc(cc(c2)C)C)(C)C
InChi:	InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
Definition date:	2000-11-29
Last modified:	2011-06-04
Identifier:	2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoic acid

QID

QID
Name:	3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione
Formula:	C14 H10 N2 O5 S
SMILES:	O=S(=O)(c2ccc1c(C(=O)N(O)C(=O)N1)c2)c3ccccc3
InChi:	InChI=1S/C14H10N2O5S/c17-13-11-8-10(6-7-12(11)15-14(18)16(13)19)22(20,21)9-4-2-1-3-5-9/h1-8,19H,(H,15,18)
Definition date:	2011-02-08
Last modified:	2011-06-04
Identifier:	3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione

QIG

QIG
Name:	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Formula:	C21 H16 N6
SMILES:	n1c(cccc1c3nc2c(cccc2)c(n3)Nc4cc5c(cc4)nnc5)C
InChi:	InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
Definition date:	2009-04-06
Last modified:	2011-06-04
Identifier:	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine

RCP

RCP
Name:	(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE
Formula:	C30 H35 N3 O3
SMILES:	O=C(N1CCOCC1)C6CCCN(C5CCN(C(=O)c4c2ccccc2cc3ccccc34)CC5)C6
InChi:	InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
Definition date:	2004-07-09
Last modified:	2011-06-04
Identifier:	(3R)-1'-(anthracen-9-ylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine

KS5

KS5
Name:	1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H16 N6
SMILES:	n1c(c2c(nc1)n(nc2c4cc3cccnc3cc4)C(C)C)N
InChi:	InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21)
Definition date:	2008-09-26
Last modified:	2011-06-04
Identifier:	1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

SK2

SK2
Name:	(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
Formula:	C19 H21 N3 O6 S
SMILES:	O=S(=O)(O)Nc1ccc3c(c1)CN(C(=O)OCc2ccccc2)C(C(=O)NC)C3
InChi:	InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1
Definition date:	2005-12-05
Last modified:	2011-06-04
Identifier:	[(3S)-2-[(benzyloxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid

882

882
Name:	(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
Formula:	C33 H34 F2 N2 O5
SMILES:	O=C(O)CC(O)CC(O)CCc2c(c(c(C(=O)Nc1ccccc1)n2C(C)C)c3ccc(F)cc3)c4ccc(F)cc4
InChi:	InChI=1S/C33H34F2N2O5/c1-20(2)37-28(17-16-26(38)18-27(39)19-29(40)41)30(21-8-12-23(34)13-9-21)31(22-10-14-24(35)15-11-22)32(37)33(42)36-25-6-4-3-5-7-25/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)/t26-,27-/m1/s1
Definition date:	2007-05-30
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-(1-methylethyl)-5-(phenylcarbamoyl)-1H-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid

KSM

KSM
Name:	N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
Formula:	C22 H23 Cl N6
SMILES:	Clc1cccc(c1Nc4nc2c(cc(cc2)N3CC(NCC3)C)n5c4cnc5)C
InChi:	InChI=1S/C22H23ClN6/c1-14-4-3-5-17(23)21(14)27-22-20-11-24-13-29(20)19-10-16(6-7-18(19)26-22)28-9-8-25-15(2)12-28/h3-7,10-11,13,15,25H,8-9,12H2,1-2H3,(H,26,27)/t15-/m0/s1
Definition date:	2008-04-17
Last modified:	2011-06-04
Identifier:	N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine

OXI

OXI
Name:	OXOLINIC ACID
Formula:	C13 H11 N O5
SMILES:	O=C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3
InChi:	InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
Definition date:	2002-01-14
Last modified:	2011-06-04
Identifier:	5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

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223532

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